3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one

C22H20FN3O3 — CID 138737245

IUPAC3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(Cn2c(=O)[nH]c3cc(-c4cccc(F)c4)cnc32)ccc1OC
InChIInChI=1S/C22H20FN3O3/c1-3-29-20-9-14(7-8-19(20)28-2)13-26-21-18(25-22(26)27)11-16(12-24-21)15-5-4-6-17(23)10-15/h4-12H,3,13H2,1-2H3,(H,25,27)
InChIKeyKDPAGIUVNLJHJH-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.99
Rot. Bonds6

About 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 138737245) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID138737245
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cc(Cn2c(=O)[nH]c3cc(-c4cccc(F)c4)cnc32)ccc1OC
InChIInChI=1S/C22H20FN3O3/c1-3-29-20-9-14(7-8-19(20)28-2)13-26-21-18(25-22(26)27)11-16(12-24-21)15-5-4-6-17(23)10-15/h4-12H,3,13H2,1-2H3,(H,25,27)
InChIKeyKDPAGIUVNLJHJH-UHFFFAOYSA-N
XLogP3.99
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 138737245) is 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one is CCOc1cc(Cn2c(=O)[nH]c3cc(-c4cccc(F)c4)cnc32)ccc1OC.
What is the InChIKey of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KDPAGIUVNLJHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-3-29-20-9-14(7-8-19(20)28-2)13-26-21-18(25-22(26)27)11-16(12-24-21)15-5-4-6-17(23)10-15/h4-12H,3,13H2,1-2H3,(H,25,27).
What are the key properties of 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 393.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138737245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).